specie.h

Flowlive The thermo library provides thermodynamical, chemical and physical properties of elements

//---------------------------------------------------------------------------
//  Project:         FlowLive
//  Module:          thermo
/*!\file             specie.h
	\brief            misc properties of chemical species
	\version          0.0.1.1
	\date             Created: 2006-08-03
	\date             Last modified: 2006-08-03
	\author           <a href="mailto:[e-mail]">Tobias Severin, [e-mail]</a>
*/
//---------------------------------------------------------------------------
#ifndef SPECIE_H
#define SPECIE_H
//---------------------------------------------------------------------------
#include <thermo/thermo.h>

#include <string>
#include <vector>

#include <thermo/element.h>

//---------------------------------------------------------------------------
THERMO_BEGIN

THERMO_EXPORT
class cSpecie
{
	protected:
		//! The name of the specie
		std::string itsName;

		//! The chemical formula of the specie
//		std::string itsFormula; // formula could be derived from elements

		//! Pointers to the elements contained in the specie
		std::vector<cElement*> itsElements;

		//! Valence numbers of all elements in the specie
		std::vector<int> itsValenceNumbers;

	public:
		//! The default constructor
		cSpecie(std::string aName, std::vector<cElement*> &itsElements, std::vector<int> itsBondNumbers);

		//! The destructor
		~cSpecie();

		//! Returns the name of the specie
		std::string Name();

		//! Returns the molar mass of thte specie [kg/mol]
		double MolarMass();


};
//---------------------------------------------------------------------------

THERMO_END

#endif